cyclohexyl 4-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoylcarbamothioylamino]benzoate

Systemtic Name: cyclohexyl 4-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoylcarbamothioylamino]benzoate Openeye Name: cyclohexyl 4-[3-(1,3-dioxoisoindolin-2-yl)propanoylcarbamothioylamino]benzoate CAS Name: 4-[[[[3-(1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]-sulfanylidenemethyl]amino]benzoic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-[3-(1,3-dioxoisoindol-2-yl)propanoylcarbamothioylamino]benzoate Traditional Name: 4-(3-phthalimidopropanoylthiocarbamoylamino)benzoic acid cyclohexyl ester Formula: C25H25N3O5S MolecularWeight: 479.5481

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CCC(CC1)OC(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C25H25N3O5S/c29-21(14-15-28-22(30)19-8-4-5-9-20(19)23(28)31)27-25(34)26-17-12-10-16(11-13-17)24(32)33-18-6-2-1-3-7-18/h4-5,8-13,18H,1-3,6-7,14-15H2,(H2,26,27,29,34)